Vitas-M small molecule compound
4-butyl-7-[(naphthalen-2-ylmethyl)sulfanyl]-2,3,5a,10b-tetrahydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Catalog ID
STK552555
SMILES CCCCC1=NC2Sc3c(C2C2=C1CCC2)ncnc3SCc1ccc2c(c1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H27N3S2 MW 457.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3S2/c1-2-3-11-22-20-9-6-10-21(20)23-24-25(32-26(23)30-22)27(29-16-28-24)31-15-17-12-13-18-7-4-5-8-19(18)14-17/h4-5,7-8,12-14,16,23,26H,2-3,6,9-11,15H2,1H3InChIKey
UFKYEFXUJBDSQO-UHFFFAOYSA-NSynonyms
4butyl7((naphthalen2ylmethyl)sulfanyl)235a10btetrahydro1Hcyclopenta(45)pyrido(3245)thieno(32d)pyrimidine
CCCCC1=NC2C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCC5=CC6=CC=CC=C6C=C5
InChI=1SC27H27N3S2c123112220961021(20)232425(3226(23)3022)27(29162824)311517121318745819(18)1417h45781214162326H23691115H21H3
MFCD03676459
ZINC000026464433
ZINC000026464454
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